Information card for entry 7251805

Structure parameters

• Formula: C22 H22 Cl6 N6 O10 Zr
• Calculated formula: C22 H22 Cl6 N6 O10 Zr
• Title of publication: Substituent Effects in the Crystallization of Zr−Hydroxamate Metal−Organic Frameworks
• Authors of publication: Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 15.3299 ± 0.0007 Å
• b: 17.5645 ± 0.0007 Å
• c: 14.9948 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4037.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.1355
• Weighted residual factors for significantly intense reflections: 0.3377
• Weighted residual factors for all reflections included in the refinement: 0.338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No